methyl 2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-5-morpholino-benzoate CAS Name: 2-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-5-morpholino-benzoic acid methyl ester Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O5/c1-30-22(29)18-14-17(26-10-12-31-13-11-26)6-7-19(18)25-20(27)8-9-24-21(28)15-2-4-16(23)5-3-15/h2-7,14H,8-13H2,1H3,(H,24,28)(H,25,27)